MMsINC Database Search


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MMsINC code: MMs02663998

Type: Neutral
Formula: C₁₄H₁₂O₄

SMILES:

O(C(=O)c1cc(OC)ccc1)c1cc(O)ccc1

InChI:

InChI=1/C14H12O4/c1-17-12-6-2-4-10(8-12)14(16)18-13-7-3-5-11(15)9-13/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2796 kcal/mol

Physical Properties
Molecular Weight: 244.246 g/mol	logS: -3.18737	SlogP: 2.62	Reactive groups: 0

Topological Properties
Globularity: 0.0534844	Sterimol/B1: 2.78648	Sterimol/B2: 2.89593	Sterimol/B3: 3.95424
Sterimol/B4: 4.76278	Sterimol/L: 15.6067

Surface and Volume Properties
Accessible surface: 478.868	Positive charged surface: 292.875	Negative charged surface: 185.993	Volume: 230.25
Hydrophobic surface: 385.384	Hydrophilic surface: 93.484

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.